Found 2 hits Enz. Inhib. hit(s) with Target = 'Vasopressin V1a receptor' and Ligand = 'BDBM50350853' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Vasopressin V1a receptor
(Homo sapiens (Human)) | BDBM50350853
(CHEMBL1817707)Show SMILES CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-24(3)36-43(67)52-28(15-16-33(46)58)39(63)54-30(20-34(47)59)40(64)55-31(23-70-69-22-26(45)37(61)53-29(41(65)56-36)19-25-11-7-6-8-12-25)44(68)57-18-10-14-32(57)42(66)51-27(13-9-17-49-5-2)38(62)50-21-35(48)60/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,67)(H,53,61)(H,54,63)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.570 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this Ligand-Target Pair | |
Vasopressin V1a receptor
(RAT) | BDBM50350853
(CHEMBL1817707)Show SMILES CCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-24(3)36-43(67)52-28(15-16-33(46)58)39(63)54-30(20-34(47)59)40(64)55-31(23-70-69-22-26(45)37(61)53-29(41(65)56-36)19-25-11-7-6-8-12-25)44(68)57-18-10-14-32(57)42(66)51-27(13-9-17-49-5-2)38(62)50-21-35(48)60/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,67)(H,53,61)(H,54,63)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1 | UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.162 | n/a | n/a | n/a | n/a |
Ferring Research Institute Inc.
Curated by ChEMBL
| Assay Description Agonist activity at recombinant rat vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay |
J Med Chem 54: 4388-98 (2011)
Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J |
More data for this Ligand-Target Pair | |